Geometry & MOs

Info

ID:	78
PubChem CID:	2084
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	228.055322
ΔH_f, kcal/mol:	-127.64
Dipole, Da:	4.98
IP(EA), eV:	-9.16(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-propoxyphenyl)acetic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CC(=O)O)Cl

DOS

IR

Vibrations